[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C19H26N4O2 — CID 71040668

IUPAC[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1nn(-c2cccc(O)c2)c(C)c1C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C19H26N4O2/c1-13(2)21-8-10-22(11-9-21)19(25)18-14(3)20-23(15(18)4)16-6-5-7-17(24)12-16/h5-7,12-13,24H,8-11H2,1-4H3
InChIKeyZNYZUWLONJNRQK-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.36
Rot. Bonds3

About [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 71040668) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID71040668
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1nn(-c2cccc(O)c2)c(C)c1C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C19H26N4O2/c1-13(2)21-8-10-22(11-9-21)19(25)18-14(3)20-23(15(18)4)16-6-5-7-17(24)12-16/h5-7,12-13,24H,8-11H2,1-4H3
InChIKeyZNYZUWLONJNRQK-UHFFFAOYSA-N
XLogP2.36
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 71040668) is [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is Cc1nn(-c2cccc(O)c2)c(C)c1C(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is ZNYZUWLONJNRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(2)21-8-10-22(11-9-21)19(25)18-14(3)20-23(15(18)4)16-6-5-7-17(24)12-16/h5-7,12-13,24H,8-11H2,1-4H3.
What are the key properties of [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 342.44 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 71040668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).